3,3-dimethyl-11-(1-methyl-1H-pyrrol-2-yl)-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Chemical Structure Depiction of
3,3-dimethyl-11-(1-methyl-1H-pyrrol-2-yl)-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
3,3-dimethyl-11-(1-methyl-1H-pyrrol-2-yl)-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Compound characteristics
| Compound ID: | Y010-1745 |
| Compound Name: | 3,3-dimethyl-11-(1-methyl-1H-pyrrol-2-yl)-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide |
| Molecular Weight: | 456.61 |
| Molecular Formula: | C27 H28 N4 O S |
| Smiles: | CC1(C)CC2=C(C(c3cccn3C)N(C(Nc3ccccc3)=S)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7151 |
| logD: | 5.7014 |
| logSw: | -5.4666 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.831 |
| InChI Key: | CNNZJWFPVXIJMI-VWLOTQADSA-N |